V003-8490 Screening compound: 1-(2-chloro-6-methylpyridine-4-carbonyl)-4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazine

V003-8490 Screening compound: 1-(2-chloro-6-methylpyridine-4-carbonyl)-4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazine
V003-8490 Screening compound: 1-(2-chloro-6-methylpyridine-4-carbonyl)-4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8490
1-(2-chloro-6-methylpyridine-4-carbonyl)-4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V003-8490

Molecular Formula

C28H32ClN3O3 (C28 H32 ClN3 O3)

Compound Name

1-(2-chloro-6-methylpyridine-4-carbonyl)-4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazine

IUPAC name

1-(2-chloro-6-methylpyridine-4-carbonyl)-4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazine

SMILES

Cc1ccc(COC(CN(CC2)CCN2C(c2cc(Cl)nc(C)c2)=O)c2cc(OC)ccc2)cc1

InChI

InChI=1S/C28H32ClN3O3/c1-20-7-9-22(10-8-20)19-35-26(23-5-4-6-25(16-23)34-3)18-31-11-13-32(14-12-31)28(33)24-15-21(2)30-27(29)17-24/h4-10,15-17,26H,11-14,18-19H2,1-3H3/t26-/m0/s1

InChI Key

NJVAZMZBOXJPBU-SANMLTNESA-N

MDL Number (MFCD)

MFCD19954734

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.61

Polar Surface Area

43.141

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V003-8490 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-8490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8490?
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What is the minimum amount of V003-8490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8490
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V003-8490 available by request